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188650-07-9 | Ethanol, 2-(2-propen-1-yloxy)-, 1-(2-aminobenzoate)
CAS No: 188650-07-9 Catalog No: AG002H2X MDL No:
Product Description
Catalog Number:
AG002H2X
Chemical Name:
Ethanol, 2-(2-propen-1-yloxy)-, 1-(2-aminobenzoate)
CAS Number:
188650-07-9
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
IUPAC Name:
2-aminobenzoic acid;2-prop-2-enoxyethanol
InChI:
InChI=1S/C7H7NO2.C5H10O2/c8-6-4-2-1-3-5(6)7(9)10;1-2-4-7-5-3-6/h1-4H,8H2,(H,9,10);2,6H,1,3-5H2
InChI Key:
SXSAQYJOKXGMJZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1N.OCCOCC=C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
239.271g/mol
Monoisotopic Mass:
239.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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